(2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile

C15H20N2O2 — CID 159810058

IUPAC(2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile
SMILESCC[C@H]1[C@H](C)[C@H](OCc2ccccc2)[C@@H](C#N)N1O
InChIInChI=1S/C15H20N2O2/c1-3-13-11(2)15(14(9-16)17(13)18)19-10-12-7-5-4-6-8-12/h4-8,11,13-15,18H,3,10H2,1-2H3/t11-,13-,14+,15-/m0/s1
InChIKeyYSTPVLBBBPVFOY-MHEUCROKSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds4

About (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile

(2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile (PubChem CID 159810058) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile
PubChem CID159810058
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile
SMILESCC[C@H]1[C@H](C)[C@H](OCc2ccccc2)[C@@H](C#N)N1O
InChIInChI=1S/C15H20N2O2/c1-3-13-11(2)15(14(9-16)17(13)18)19-10-12-7-5-4-6-8-12/h4-8,11,13-15,18H,3,10H2,1-2H3/t11-,13-,14+,15-/m0/s1
InChIKeyYSTPVLBBBPVFOY-MHEUCROKSA-N
XLogP2.58
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
ethyl 2-[(2R,3S,4S)-1-benzyl-2-cyano-4-ethylazetidin-3-yl]acetate
CID 11507507
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(1R,2S,4S)-2,4-dimethyl-3,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 118000060
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
(5R,6S,7R,7aS)-3-oxo-6,7-bis(phenylmethoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-5-carbonitrile
CID 56927013
4,5-dimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2-carbonitrile
CID 121355445
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile?
The IUPAC name of (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile (CID 159810058) is (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile?
The canonical SMILES for (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile is CC[C@H]1[C@H](C)[C@H](OCc2ccccc2)[C@@H](C#N)N1O.
What is the InChIKey of (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile?
The InChIKey is YSTPVLBBBPVFOY-MHEUCROKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13-11(2)15(14(9-16)17(13)18)19-10-12-7-5-4-6-8-12/h4-8,11,13-15,18H,3,10H2,1-2H3/t11-,13-,14+,15-/m0/s1.
What are the key properties of (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile?
(2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-5-ethyl-1-hydroxy-4-methyl-3-phenylmethoxypyrrolidine-2-carbonitrile is sourced from PubChem (CID 159810058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).